N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide

C11H14F2N2OS — CID 107529067

IUPACN-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccccc1SC(F)F
InChIInChI=1S/C11H14F2N2OS/c1-8(16)14-6-7-15-9-4-2-3-5-10(9)17-11(12)13/h2-5,11,15H,6-7H2,1H3,(H,14,16)
InChIKeyIFABJKDTYJVIOA-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.55
Rot. Bonds6

About N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide

N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide (PubChem CID 107529067) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide
PubChem CID107529067
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC NameN-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccccc1SC(F)F
InChIInChI=1S/C11H14F2N2OS/c1-8(16)14-6-7-15-9-4-2-3-5-10(9)17-11(12)13/h2-5,11,15H,6-7H2,1H3,(H,14,16)
InChIKeyIFABJKDTYJVIOA-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-(difluoromethylsulfanyl)anilino]butanoate
CID 43377840
N-(2-tert-butylsulfonylethyl)-2-(difluoromethylsulfanyl)aniline
CID 106722976
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
2-(difluoromethylsulfanyl)-N-(4,4,4-trifluorobutyl)aniline
CID 115513442
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
N-[2-(2-ethoxyanilino)ethyl]acetamide
CID 103604124
3-[2-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414336
(E)-4-[2-(difluoromethylsulfanyl)anilino]but-2-enoic acid
CID 103232604
2-(difluoromethylsulfanyl)-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451258
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146
N-[2-(2-hydroxyphenyl)sulfanylethyl]acetamide
CID 62000119
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide?
The IUPAC name of N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide (CID 107529067) is N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide is CC(=O)NCCNc1ccccc1SC(F)F.
What is the InChIKey of N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide?
The InChIKey is IFABJKDTYJVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c1-8(16)14-6-7-15-9-4-2-3-5-10(9)17-11(12)13/h2-5,11,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide?
N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide has a molecular weight of 260.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide is sourced from PubChem (CID 107529067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).